2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide

C11H13N5O4 — CID 175901788

IUPAC2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
SMILESNC(=O)C(=O)CCC(NC(=O)c1cnccn1)C(N)=O
InChIInChI=1S/C11H13N5O4/c12-9(18)6(1-2-8(17)10(13)19)16-11(20)7-5-14-3-4-15-7/h3-6H,1-2H2,(H2,12,18)(H2,13,19)(H,16,20)
InChIKeyRQNLPVZTMOIFLS-UHFFFAOYSA-N
MW279.26 g/mol
LogP-2.11
Rot. Bonds7

About 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide

2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide (PubChem CID 175901788) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide.

Molecular Properties

Compound Name2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
PubChem CID175901788
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide
SMILESNC(=O)C(=O)CCC(NC(=O)c1cnccn1)C(N)=O
InChIInChI=1S/C11H13N5O4/c12-9(18)6(1-2-8(17)10(13)19)16-11(20)7-5-14-3-4-15-7/h3-6H,1-2H2,(H2,12,18)(H2,13,19)(H,16,20)
InChIKeyRQNLPVZTMOIFLS-UHFFFAOYSA-N
XLogP-2.11
TPSA158.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676
2-[(2-methylpyrazole-3-carbonyl)amino]-5-oxohexanediamide
CID 172503234
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
N-[2-[[(2S)-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 70297294
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N-(2,4-dimethylpentan-3-yl)pyrazine-2-carboxamide
CID 20782723
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
(2S)-3-cyclobutyl-2-(pyrazine-2-carbonylamino)propanoic acid
CID 162739047

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide?
The IUPAC name of 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide (CID 175901788) is 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide.
What is the SMILES notation for 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide?
The canonical SMILES for 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide is NC(=O)C(=O)CCC(NC(=O)c1cnccn1)C(N)=O.
What is the InChIKey of 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide?
The InChIKey is RQNLPVZTMOIFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c12-9(18)6(1-2-8(17)10(13)19)16-11(20)7-5-14-3-4-15-7/h3-6H,1-2H2,(H2,12,18)(H2,13,19)(H,16,20).
What are the key properties of 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide?
2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide has a molecular weight of 279.26 g/mol, XLogP of -2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-(pyrazine-2-carbonylamino)hexanediamide is sourced from PubChem (CID 175901788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).